[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone

C19H18N2O3 — CID 1222656

IUPAC[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)o1
InChIInChI=1S/C19H18N2O3/c1-13-6-7-18(24-13)17-12-15(14-4-2-3-5-16(14)20-17)19(22)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3
InChIKeyZBLKLEQKESHSHF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.28
Rot. Bonds2

About [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1222656) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID1222656
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)o1
InChIInChI=1S/C19H18N2O3/c1-13-6-7-18(24-13)17-12-15(14-4-2-3-5-16(14)20-17)19(22)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3
InChIKeyZBLKLEQKESHSHF-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 1222656) is [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZBLKLEQKESHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-6-7-18(24-13)17-12-15(14-4-2-3-5-16(14)20-17)19(22)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3.
What are the key properties of [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 322.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1222656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).